(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o976-o977 [ doi:10.1107/S1600536801015379 ]

2-Ethyl 5-methyl 3-hydroxythiophene-2,5-dicarboxylate

S. J. Coles, H. Guthmann, M. B. Hursthouse and P. J. Murphy

Online 29 September 2001

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.006 Å
R factor = 0.084
wR factor = 0.268
Data-to-parameter ratio = 16.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



DIFMX_01  Alert B The maximum difference density is > 0.1*ZMAX*1.00             
          _refine_diff_density_max given =      1.728                           
          Test value =      1.600                                               

PLAT_030  Alert B Refined Extinction parameter within range ....       2.22 Sigma


 Alert Level C:



DIFMX_02  Alert C The minimum difference density is > 0.1*ZMAX*0.75             
          The relevant atom site should be identified.                          

RFACR_01  Alert C The value of the weighted R factor is > 0.25                  
          Weighted R factor given   0.268                                       


 0 Alert Level A = Potentially serious problem

 2 Alert Level B = Potential problem

 2 Alert Level C = Please check